1. chem960
  2. 99-32-1
Introduction
白屈菜酸是化学物质,分子式是C7H4O6。
Names and Identifiers
  • 4-Oxo-4H-pyran-2,6-dicarboxylic acid
  • 4-oxopyran-2,6-dicarboxylic acid
  • CHELIDONIC ACID
  • CHELIDONIC ACID(RG)
  • Jervasic acid
  • Jervaic acid
  • Jerva acid
  • Compound XI*
  • 2,6-Dicarboxyl-4-pyrone
  • 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-
  • Compound XI* (Cherry and Hageman)
  • 4-Oxo-1,4-pyran-2,6-dicarboxylic acid
  • gamma-Pyrone-2,6-dicarboxylic acid
  • T33U4W5K6O
  • Chelidonic acid (not validated)
  • NSC3979
  • PBAYDYUZOSNJGU-UHFFFAOYSA-N
  • .gamma.-Pyrone-2,6-dicarboxylic acid
  • cheli
  • Chelidonic acid
  • InChI=1/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)
  • CHEBI:3586
  • 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID
  • s5579
  • C7H4O6
  • DS-1596
  • FT-0623586
  • AI3-19253
  • y-Pyrone-2,6-dicarboxylic acid
  • HMS3886K12
  • EINECS 202-749-0
  • BP-12076
  • CCG-266462
  • 4-Oxo-4H-pyran-2 pound not6-dicarboxylic acid
  • HMS1537K05
  • SCHEMBL70569
  • Chelidonic acid, purum, anhydrous, >=98.0% (T)
  • CHELIDONIC ACID [MI]
  • NCGC00174597-01
  • 4-Oxo-1,6-dicarboxylic acid
  • DTXCID60166419
  • CS-W022229
  • C08476
  • HY-W041489
  • A19372
  • UNII-T33U4W5K6O
  • chelidonsaure
  • MFCD00006577
  • NS00041234
  • 4-oxo-pyran-2,6-dicarboxylic acid
  • SY031174
  • c0955
  • 2,6-dicarboxy-4-pyrone
  • AR-360/40172582
  • 4H-Pyran-2, 4-oxo-
  • Chelidonic acid, 98%
  • PBAYDYUZOSNJGU-UHFFFAOYSA-
  • AKOS003368630
  • WLN: T6O DVJ BVQ FVQ
  • BB 0221249
  • TimTec1_001281
  • Z1238543360
  • NSC 3979
  • 4-Oxo-4H-pyran-2,6-dicarboxylicacid
  • 99-32-1
  • 5-18-08-00646 (Beilstein Handbook Reference)
  • AMY36600
  • BRN 0163607
  • Chelidonic acid, analytical standard
  • HLD
  • EN300-82795
  • Q908483
  • DTXSID30243928
  • NSC-3979
  • MDL:MFCD00006577
  • InChIKey:PBAYDYUZOSNJGU-UHFFFAOYSA-N
  • Inchi:1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)
  • SMILES:O1C(C(=O)O[H])=C([H])C(C([H])=C1C(=O)O[H])=O
  • BRN:0163607
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 184.00100
  • 氢键供体数量: 2
  • 氢键受体数量: 6
  • 可旋转化学键数量: 2
  • 同位素质量: 184.00078784g/mol
  • 重原子数量: 13
  • 复杂度: 316
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): -0.4
  • 互变异构体数量: none
  • 表面电荷: 0
  • 拓扑分子极性表面积: 101

Experimental Properties

  • LogP: 0.03620
  • PSA: 104.81000
  • Merck: 13,2060
  • 折射率: 1.5600 (estimate)
  • 沸点: 238.02°C (rough estimate)
  • 熔点: 265 °C (dec.) (lit.)
  • 颜色与性状: Powder
  • 溶解性: 微溶于乙醇
  • 密度: 1.4880 (rough estimate)
Security Information
  • Symbol: GHS07
  • RTECS号:UP7350000
  • WGK Germany:3
  • 安全说明:S26-S36
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H315-H319-H335
  • 警示性声明:P261-P305+P351+P338
  • 储存条件:Please store the product under the recommended conditions in the Certificate of Analysis.
  • 危险类别码:36/37/38
  • 信号词:Warning
Customs Data
  • 海关编码:2932999099
  • 海关数据:

    中国海关编码:

    2932999099

    概述:

    2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

    申报要素:

    品名, 成分含量, 用途

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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